Isopropyl Benzenesulfonate

Isopropyl benzenesulfonate is a sulfonate ester genotoxic impurity found in active pharmaceutical ingredients. It has potential to exert toxic effects in bacterial and mammalian cells.Formal Name: benzenesulfonic acid, 1-methylethyl ester. CAS Number: 6214-18-2. Synonyms: Benzenesulfonic Acid isopropyl ester. Molecular Formula: C9H12O3S. Formula Weight: 200.3. Purity: >98%. Formulation: (Request formulation change), A neat oil. Solubility: DMF: 30 mg/ml, DMSO: 30 mg/ml, Ethanol: 30 mg/ml, Ethanol:PBS(pH 7.2) (1:1): 0.5 mg/ml. lambdamax: 217, 258, 264, 271 nm. SMILES: CC(C)OS(C1=CC=CC=C1)(=O)=O. InChi Code: InChI=1S/C9H12O3S/c1-8(2)12-13(10,11)9-6-4-3-5-7-9/h3-8H,1-2H3. InChi Key: YQZZXXKFKTWDPY-UHFFFAOYSA-N.